iodomethyl (1Z)-2-methylpropanehydrazonate

C5H11IN2O — CID 166663058

IUPACiodomethyl (1Z)-2-methylpropanehydrazonate
SMILESCC(C)/C(=N/N)OCI
InChIInChI=1S/C5H11IN2O/c1-4(2)5(8-7)9-3-6/h4H,3,7H2,1-2H3/b8-5-
InChIKeyFTLRRVLFGHYGKT-YVMONPNESA-N
MW242.06 g/mol
LogP1.32
Rot. Bonds2

About iodomethyl (1Z)-2-methylpropanehydrazonate

iodomethyl (1Z)-2-methylpropanehydrazonate (PubChem CID 166663058) has the molecular formula C5H11IN2O and a molecular weight of 242.06 g/mol. Its IUPAC name is iodomethyl (1Z)-2-methylpropanehydrazonate.

Molecular Properties

Compound Nameiodomethyl (1Z)-2-methylpropanehydrazonate
PubChem CID166663058
Molecular FormulaC5H11IN2O
Molecular Weight242.06 g/mol
Exact Mass241.99
IUPAC Nameiodomethyl (1Z)-2-methylpropanehydrazonate
SMILESCC(C)/C(=N/N)OCI
InChIInChI=1S/C5H11IN2O/c1-4(2)5(8-7)9-3-6/h4H,3,7H2,1-2H3/b8-5-
InChIKeyFTLRRVLFGHYGKT-YVMONPNESA-N
XLogP1.32
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze iodomethyl (1Z)-2-methylpropanehydrazonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (1Z)-2-methylpropanehydrazonate
CID 89315805
methyl (1E)-2-methylpropanehydrazonate
CID 156262585
methyl (1E)-propanehydrazonate
CID 156384437
iodo (1Z)-N-imino-2-methylpropanehydrazonate
CID 172986392

Frequently Asked Questions

What is the IUPAC name of iodomethyl (1Z)-2-methylpropanehydrazonate?
The IUPAC name of iodomethyl (1Z)-2-methylpropanehydrazonate (CID 166663058) is iodomethyl (1Z)-2-methylpropanehydrazonate.
What is the SMILES notation for iodomethyl (1Z)-2-methylpropanehydrazonate?
The canonical SMILES for iodomethyl (1Z)-2-methylpropanehydrazonate is CC(C)/C(=N/N)OCI.
What is the InChIKey of iodomethyl (1Z)-2-methylpropanehydrazonate?
The InChIKey is FTLRRVLFGHYGKT-YVMONPNESA-N. The full InChI is InChI=1S/C5H11IN2O/c1-4(2)5(8-7)9-3-6/h4H,3,7H2,1-2H3/b8-5-.
What are the key properties of iodomethyl (1Z)-2-methylpropanehydrazonate?
iodomethyl (1Z)-2-methylpropanehydrazonate has a molecular weight of 242.06 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethyl (1Z)-2-methylpropanehydrazonate is sourced from PubChem (CID 166663058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).